3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]propionamide Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4/c1-12-5-3-4-6-13(12)9-23-11-18-17(21-23)19-15(25)7-8-22-10-14(24(26)27)16(20-22)28-2/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,25)